SCHEMBL29475596

SCHEMBL29475596

O=Cc1cc(C(=O)N2CCS[C@H](c3ccc(N4CCCC4)cc3)C2)cc(F)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.42
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
RAB9A P51151 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSP90AA1 P07900 1/20 0.32
MBTD1 Q05BQ5 1/20 0.32
TP53BP1 Q12888 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25318324 1.00 ERN1 (0.42) ERN1KMT2AKDM4ENPC1TSHR
SCHEMBL29475564 1.00 ERN1 (0.42) ERN1KMT2AKDM4ENPC1TSHR
SCHEMBL25320430 1.00 ERN1 (0.42) ERN1KMT2AKDM4ENPC1TSHR
SCHEMBL25322131 1.00 ERN1 (0.42) ERN1KMT2AKDM4ENPC1TSHR
SCHEMBL30476673 1.00 ERN1 (0.42) ERN1KMT2AKDM4ENPC1TSHR
SCHEMBL25317544 0.85 ERN1 (0.47) ERN1KMT2AKDM4ENPC1TSHR
SCHEMBL29475606 0.85 ERN1 (0.47) ERN1KMT2AKDM4ENPC1TSHR
SCHEMBL29475543 0.85 ERN1 (0.40) ERN1ALDH1A1HPGDLMNA
SCHEMBL25319769 0.85 ERN1 (0.40) ERN1ALDH1A1HPGDLMNA
SCHEMBL25319039 0.84 NPC1 (0.45) ERN1NPC1RAB9AMBTD1TP53BP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4217342-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING Neuropore Therapies, Inc. (US) 2023-08-02 EP disclosed
WO-2022067114-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2022-03-31 WO disclosed